N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide

C32H33FN6O2S — CID 87519212

IUPACN-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
SMILESCC(C)(C)c1sc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccccn5)ccn34)cc2F)nc1CN1CCOCC1
InChIInChI=1S/C32H33FN6O2S/c1-32(2,3)30-26(20-38-12-14-41-15-13-38)36-31(42-30)37-29(40)18-21-7-8-23(16-24(21)33)27-19-35-28-17-22(9-11-39(27)28)25-6-4-5-10-34-25/h4-11,16-17,19H,12-15,18,20H2,1-3H3,(H,36,37,40)
InChIKeyGZKYVHGMXMZFOR-UHFFFAOYSA-N
MW584.72 g/mol
LogP5.97
Rot. Bonds7

About N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide

N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 87519212) has the molecular formula C32H33FN6O2S and a molecular weight of 584.72 g/mol. Its IUPAC name is N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
PubChem CID87519212
Molecular FormulaC32H33FN6O2S
Molecular Weight584.72 g/mol
Exact Mass584.24
IUPAC NameN-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
SMILESCC(C)(C)c1sc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccccn5)ccn34)cc2F)nc1CN1CCOCC1
InChIInChI=1S/C32H33FN6O2S/c1-32(2,3)30-26(20-38-12-14-41-15-13-38)36-31(42-30)37-29(40)18-21-7-8-23(16-24(21)33)27-19-35-28-17-22(9-11-39(27)28)25-6-4-5-10-34-25/h4-11,16-17,19H,12-15,18,20H2,1-3H3,(H,36,37,40)
InChIKeyGZKYVHGMXMZFOR-UHFFFAOYSA-N
XLogP5.97
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide (CID 87519212) is N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide is CC(C)(C)c1sc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccccn5)ccn34)cc2F)nc1CN1CCOCC1.
What is the InChIKey of N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
The InChIKey is GZKYVHGMXMZFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN6O2S/c1-32(2,3)30-26(20-38-12-14-41-15-13-38)36-31(42-30)37-29(40)18-21-7-8-23(16-24(21)33)27-19-35-28-17-22(9-11-39(27)28)25-6-4-5-10-34-25/h4-11,16-17,19H,12-15,18,20H2,1-3H3,(H,36,37,40).
What are the key properties of N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide?
N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide has a molecular weight of 584.72 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 87519212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).